Gold Stability and Diffusion in the Au/TS-1 Catalyst

How Collective Phenomena Impact CO2 Reactivity and Speciation in Different Media

(2020) Daniela Polino et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Restructuring of MFI Framework Zeolite Models and Their Associated Artifacts in Density Functional Theory Calculations

(2019) Alexander Hoffman et al.   Journal of Physical Chemistry C

Determining Diffusion Coefficients of Chemical Warfare Agents in Metal–Organic Frameworks

(2019) Mayank Agrawal et al.   Journal of Physical Chemistry Letters

Propylene oxide inhibits propylene epoxidation over Au/TS-1

(2018) James W. Harris et al.   JOURNAL OF CATALYSIS

First principles, microkinetic, and experimental analysis of Lewis acid site speciation during ethanol dehydration on Sn-Beta zeolites

(2018) Brandon C. Bukowski et al.   JOURNAL OF CATALYSIS

Single-site catalyst promoters accelerate metal-catalyzed nitroarene hydrogenation

(2018) Liang Wang et al.   Nature Communications

Building maps in collective variable space

(2018) Ilaria Gimondi et al.   JOURNAL OF CHEMICAL PHYSICS

Trapping of Metal Atoms and Metal Clusters by Chabazite under Severe Redox Stress

(2018) Manuel Moliner et al.   ACS Catalysis

Simultaneously Enhanced Stability and Selectivity for Propene Epoxidation with H2 and O2 on Au Catalysts Supported on Nano-Crystalline Mesoporous TS-1

(2017) Xiang Feng et al.   ACS Catalysis

Challenges and strategies in the encapsulation and stabilization of monodisperse Au clusters within zeolites

(2016) Trenton Otto et al.   JOURNAL OF CATALYSIS

Direct Oxidation of Propylene to Propylene Oxide with Molecular Oxygen: A Review

(2015) Sheima J. Khatib et al.   CATALYSIS REVIEWS-SCIENCE AND ENGINEERING

H2 Activation and Spillover on Catalytically Relevant Pt–Cu Single Atom Alloys

(2015) Felicia R. Lucci et al.   Journal of Physical Chemistry C

Theoretical and Experimental Insights into the Origin of the Catalytic Activity of Subnanometric Gold Clusters: Attempts to Predict Reactivity with Clusters and Nanoparticles of Gold

(2013) Mercedes Boronat et al.   ACCOUNTS OF CHEMICAL RESEARCH

Sintering of Catalytic Nanoparticles: Particle Migration or Ostwald Ripening?

(2013) Thomas W. Hansen et al.   ACCOUNTS OF CHEMICAL RESEARCH

Probing the gold active sites in Au/TS-1 for gas-phase epoxidation of propylene in the presence of hydrogen and oxygen

(2012) Wen-Sheng Lee et al.   JOURNAL OF CATALYSIS

Size and Support Effects for the Water–Gas Shift Catalysis over Gold Nanoparticles Supported on Model Al2O3 and TiO2

(2012) Mayank Shekhar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

The Roles of Entropy and Enthalpy in Stabilizing Ion-Pairs at Transition States in Zeolite Acid Catalysis

(2011) Rajamani Gounder et al.   ACCOUNTS OF CHEMICAL RESEARCH

Propene epoxidation with O2 and H2: Identification of the most active gold clusters

(2011) Jiahui Huang et al.   JOURNAL OF CATALYSIS

Gold clusters supported on alkaline treated TS-1 for highly efficient propene epoxidation with O2 and H2

(2010) Jiahui Huang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Probing the Interactions of O2with Small Gold Cluster Anions (Aun−,n= 1−7): Chemisorption vs Physisorption

(2010) Wei Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metallic Corner Atoms in Gold Clusters Supported on Rutile Are the Dominant Active Site during Water−Gas Shift Catalysis

(2010) W. Damion Williams et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Coverage Effects on the Palladium-Catalyzed Synthesis of Vinyl Acetate: Comparison between Theory and Experiment

(2010) Florencia Calaza et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical investigations of the catalytic role of water in propene epoxidation on gold nanoclusters: A hydroperoxyl-mediated pathway

(2010) Chun-Ran Chang et al.   Nano Research

Enhanced reactivity of direct propylene epoxidation with H2 and O2 over Ge-modified Au/TS-1 catalysts

(2009) Tong Liu et al.   JOURNAL OF CATALYSIS

A systematic search for minimum structures of small gold clusters Au[sub n] (n=2–20) and their electronic properties

(2009) Behnam Assadollahzadeh et al.   JOURNAL OF CHEMICAL PHYSICS

High Water−Gas Shift Activity in TiO2(110) Supported Cu and Au Nanoparticles: Role of the Oxide and Metal Particle Size

(2009) José A. Rodríguez et al.   Journal of Physical Chemistry C

A Link between Reactivity and Local Structure in Acid Catalysis on Zeolites

(2008) Aditya Bhan et al.   ACCOUNTS OF CHEMICAL RESEARCH

Effect of composition and promoters in Au/TS-1 catalysts for direct propylene epoxidation using H2 and O2

(2008) Jiqing Lu et al.   CATALYSIS TODAY

New innovative gold catalysts prepared by an improved incipient wetness method

(2008) C BAATZ et al.   JOURNAL OF CATALYSIS